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Analogs

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Popular Name: (2R)-N-(5-methylisoxazol-3-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6- (2R)-N-(5-methylisoxazol-3-yl)-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.30 5.02 -60.9 3 8 1 102 305.362 4 ↓
Mid Mid (pH 6-8) -0.30 4.06 -15.41 2 8 0 98 304.354 4 ↓

Analogs

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Popular Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6- (2S)-N-(5-methylisoxazol-3-yl)-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.30 5.02 -59.38 3 8 1 102 305.362 4 ↓
Mid Mid (pH 6-8) -0.30 3.98 -14.59 2 8 0 98 304.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-methylisoxazol-3-yl)-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6- (2R)-N-(5-methylisoxazol-3-yl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.30 5.02 -59.42 3 8 1 102 305.362 4 ↓
Mid Mid (pH 6-8) -0.30 4.03 -16.39 2 8 0 98 304.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6- (2S)-N-(5-methylisoxazol-3-yl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.30 5.06 -60.96 3 8 1 102 305.362 4 ↓
Mid Mid (pH 6-8) -0.30 3.98 -13.63 2 8 0 98 304.354 4 ↓

Parameters Provided:

ring.id = 382769
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 382769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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